Spektraris NMR
ent-7b,11a-Dihydroxy-3,12-dioxo-13-epi-manoyl oxide
Common Name: ent-7b,11a-Dihydroxy-3,12-dioxo-13-epi-manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-7-19(5)16(24)14(23)15-18(4)9-8-12(21)17(2,3)11(18)10-13(22)20(15,6)25-19/h7,11,13-15,22-23H,1,8-10H2,2-6H3/t11-,13-,14-,15+,18-,19+,20+/m1/s1
InChIKey: InChIKey=CBRSOQCZMUVLGM-LFSVQFKRSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Linan, E., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1995) 38, 1237-44
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.1 |
| 2 (CH2) | 33.7 |
| 3 (C) | 216.7 |
| 4 (C) | 47.4 |
| 5 (CH) | 52.1 |
| 6 (CH2) | 27.5 |
| 7 (CH) | 78.8 |
| 8 (C) | 80.1 |
| 9 (CH) | 59.6 |
| 10 (C) | 39 |
| 11 (CH) | 71.5 |
| 12 (C) | 210.2 |
| 13 (C) | 82.5 |
| 14 (CH) | 142.4 |
| 15 (CH2) | 113.6 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 27.3 |
| 19 (CH3) | 21 |
| 20 (CH3) | 15.5 |
